Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone
Wang, Sheng, Che, Tao, Levit, Anat, Shoichet, Brian K., Wacker, Daniel, Roth, Bryan L.
Published in Nature (London) (08.03.2018)
Published in Nature (London) (08.03.2018)
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Journal Article
Structure-based drug screening for G-protein-coupled receptors
Shoichet, Brian K, Kobilka, Brian K
Published in Trends in pharmacological sciences (Regular ed.) (01.05.2012)
Published in Trends in pharmacological sciences (Regular ed.) (01.05.2012)
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Journal Article
Ultra-large library docking for discovering new chemotypes
Lyu, Jiankun, Wang, Sheng, Balius, Trent E., Singh, Isha, Levit, Anat, Moroz, Yurii S., O’Meara, Matthew J., Che, Tao, Algaa, Enkhjargal, Tolmachova, Kateryna, Tolmachev, Andrey A., Shoichet, Brian K., Roth, Bryan L., Irwin, John J.
Published in Nature (London) (01.02.2019)
Published in Nature (London) (01.02.2019)
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Journal Article
Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor
Kim, Kuglae, Che, Tao, Panova, Ouliana, DiBerto, Jeffrey F., Lyu, Jiankun, Krumm, Brian E., Wacker, Daniel, Robertson, Michael J., Seven, Alpay B., Nichols, David E., Shoichet, Brian K., Skiniotis, Georgios, Roth, Bryan L.
Published in Cell (17.09.2020)
Published in Cell (17.09.2020)
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Journal Article
Crystal Structure of an LSD-Bound Human Serotonin Receptor
Wacker, Daniel, Wang, Sheng, McCorvy, John D., Betz, Robin M., Venkatakrishnan, A.J., Levit, Anat, Lansu, Katherine, Schools, Zachary L., Che, Tao, Nichols, David E., Shoichet, Brian K., Dror, Ron O., Roth, Bryan L.
Published in Cell (26.01.2017)
Published in Cell (26.01.2017)
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Journal Article
Virtual discovery of melatonin receptor ligands to modulate circadian rhythms
Stein, Reed M., Kang, Hye Jin, McCorvy, John D., Glatfelter, Grant C., Jones, Anthony J., Che, Tao, Slocum, Samuel, Huang, Xi-Ping, Savych, Olena, Moroz, Yurii S., Stauch, Benjamin, Johansson, Linda C., Cherezov, Vadim, Kenakin, Terry, Irwin, John J., Shoichet, Brian K., Roth, Bryan L., Dubocovich, Margarita L.
Published in Nature (London) (01.03.2020)
Published in Nature (London) (01.03.2020)
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Journal Article
Large-scale prediction and testing of drug activity on side-effect targets
Lounkine, Eugen, Keiser, Michael J., Whitebread, Steven, Mikhailov, Dmitri, Hamon, Jacques, Jenkins, Jeremy L., Lavan, Paul, Weber, Eckhard, Doak, Allison K., Côté, Serge, Shoichet, Brian K., Urban, Laszlo
Published in Nature (London) (21.06.2012)
Published in Nature (London) (21.06.2012)
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Journal Article
Ligand pose and orientational sampling in molecular docking
Coleman, Ryan G, Carchia, Michael, Sterling, Teague, Irwin, John J, Shoichet, Brian K
Published in PloS one (01.10.2013)
Published in PloS one (01.10.2013)
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Journal Article
Structures of the σ2 receptor enable docking for bioactive ligand discovery
Alon, Assaf, Lyu, Jiankun, Braz, Joao M., Tummino, Tia A., Craik, Veronica, O’Meara, Matthew J., Webb, Chase M., Radchenko, Dmytro S., Moroz, Yurii S., Huang, Xi-Ping, Liu, Yongfeng, Roth, Bryan L., Irwin, John J., Basbaum, Allan I., Shoichet, Brian K., Kruse, Andrew C.
Published in Nature (London) (23.12.2021)
Published in Nature (London) (23.12.2021)
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Journal Article
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
Irwin, John J, Shoichet, Brian K
Published in Journal of chemical information and modeling (01.01.2005)
Published in Journal of chemical information and modeling (01.01.2005)
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Journal Article
Colloidal aggregation: From screening nuisance to formulation nuance
Ganesh, Ahil N., Donders, Eric N., Shoichet, Brian K., Shoichet, Molly S.
Published in Nano today (01.04.2018)
Published in Nano today (01.04.2018)
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Journal Article
Prediction of Protein−Ligand Interactions. Docking and Scoring: Successes and Gaps
Leach, Andrew R, Shoichet, Brian K, Peishoff, Catherine E
Published in Journal of medicinal chemistry (05.10.2006)
Published in Journal of medicinal chemistry (05.10.2006)
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Journal Article
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
Wan, Xiaobo, Yang, Tangpo, Cuesta, Adolfo, Pang, Xiaming, Balius, Trent E, Irwin, John J, Shoichet, Brian K, Taunton, Jack
Published in Journal of the American Chemical Society (18.03.2020)
Published in Journal of the American Chemical Society (18.03.2020)
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Journal Article
Structure, function and pharmacology of human itch GPCRs
Cao, Can, Kang, Hye Jin, Singh, Isha, Chen, He, Zhang, Chengwei, Ye, Wenlei, Hayes, Byron W., Liu, Jing, Gumpper, Ryan H., Bender, Brian J., Slocum, Samuel T., Krumm, Brian E., Lansu, Katherine, McCorvy, John D., Kroeze, Wesley K., English, Justin G., DiBerto, Jeffrey F., Olsen, Reid H. J., Huang, Xi-Ping, Zhang, Shicheng, Liu, Yongfeng, Kim, Kuglae, Karpiak, Joel, Jan, Lily Y., Abraham, Soman N., Jin, Jian, Shoichet, Brian K., Fay, Jonathan F., Roth, Bryan L.
Published in Nature (London) (02.12.2021)
Published in Nature (London) (02.12.2021)
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